3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine

C83H70F5N17O6 — CID 160936724

About 3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine

3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine (PubChem CID 160936724) has the molecular formula C83H70F5N17O6 and a molecular weight of 1496.58 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine.

Molecular Properties

• Compound Name: 3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine
• PubChem CID: 160936724
• Molecular Formula: C83H70F5N17O6
• Molecular Weight: 1496.58 g/mol
• Exact Mass: 1495.56
• IUPAC Name: 3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine
• SMILES: Cc1ccc2ccc3c(c2n1)OCN(c1ccc(F)c(F)c1)C3.FC(F)(F)c1cccc(N2Cc3ccc4cccnc4c3CO2)c1.c1cnc(N2COc3ncccc3C2)nc1.c1cnc2c(c1)CN(c1ccncc1)CO2.c1cnc2c(c1)CN(c1ccncc1)CO2.c1cncc(N2COc3ncccc3C2)c1
• InChI: InChI=1S/C18H13F3N2O.C18H14F2N2O.3C12H11N3O.C11H10N4O/c19-18(20,21)14-4-1-5-15(9-14)23-10-13-7-6-12-3-2-8-22-17(12)16(13)11-24-23;1-11-2-3-12-4-5-13-9-22(10-23-18(13)17(12)21-11)14-6-7-15(19)16(20)8-14;1-3-10-8-15(9-16-12(10)14-6-1)11-4-2-5-13-7-11;2*1-2-10-8-15(9-16-12(10)14-5-1)11-3-6-13-7-4-11;1-3-9-7-15(8-16-10(9)12-4-1)11-13-5-2-6-14-11/h1-9H,10-11H2;2-8H,9-10H2,1H3;3*1-7H,8-9H2;1-6H,7-8H2
• InChIKey: STYXYBXTIDOYSG-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 216.61 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 6
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1496.58
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine?

The IUPAC name of 3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine (CID 160936724) is 3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine.

What is the SMILES notation for 3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine?

The canonical SMILES for 3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine is Cc1ccc2ccc3c(c2n1)OCN(c1ccc(F)c(F)c1)C3.FC(F)(F)c1cccc(N2Cc3ccc4cccnc4c3CO2)c1.c1cnc(N2COc3ncccc3C2)nc1.c1cnc2c(c1)CN(c1ccncc1)CO2.c1cnc2c(c1)CN(c1ccncc1)CO2.c1cncc(N2COc3ncccc3C2)c1.

What is the InChIKey of 3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine?

The InChIKey is STYXYBXTIDOYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O.C18H14F2N2O.3C12H11N3O.C11H10N4O/c19-18(20,21)14-4-1-5-15(9-14)23-10-13-7-6-12-3-2-8-22-17(12)16(13)11-24-23;1-11-2-3-12-4-5-13-9-22(10-23-18(13)17(12)21-11)14-6-7-15(19)16(20)8-14;1-3-10-8-15(9-16-12(10)14-6-1)11-4-2-5-13-7-11;2*1-2-10-8-15(9-16-12(10)14-5-1)11-3-6-13-7-4-11;1-3-9-7-15(8-16-10(9)12-4-1)11-13-5-2-6-14-11/h1-9H,10-11H2;2-8H,9-10H2,1H3;3*1-7H,8-9H2;1-6H,7-8H2.

What are the key properties of 3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine?

3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine has a molecular weight of 1496.58 g/mol, XLogP of 15.61, 6 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,4-difluorophenyl)-9-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine;3-pyridin-3-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;bis(3-pyridin-4-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine);3-pyrimidin-2-yl-2,4-dihydropyrido[3,2-e][1,3]oxazine;8-[3-(trifluoromethyl)phenyl]-7,10-dihydropyrido[3,2-h][2,3]benzoxazine is sourced from PubChem (CID 160936724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).